(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C13H21N5O3S — CID 94857964

IUPAC(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1
InChIInChI=1S/C13H21N5O3S/c1-17(2)13(20)18-6-4-5-9(7-18)11(19)14-12-16-15-10(22-12)8-21-3/h9H,4-8H2,1-3H3,(H,14,16,19)/t9-/m0/s1
InChIKeyNEDQXHLVBIIJIK-VIFPVBQESA-N
MW327.41 g/mol
LogP1.02
Rot. Bonds4

About (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 94857964) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID94857964
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOCc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1
InChIInChI=1S/C13H21N5O3S/c1-17(2)13(20)18-6-4-5-9(7-18)11(19)14-12-16-15-10(22-12)8-21-3/h9H,4-8H2,1-3H3,(H,14,16,19)/t9-/m0/s1
InChIKeyNEDQXHLVBIIJIK-VIFPVBQESA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 94857759
3-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921245
(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
CID 56921075
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857992
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
1-butanoyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55906892
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97188441

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 94857964) is (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is COCc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1.
What is the InChIKey of (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is NEDQXHLVBIIJIK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-17(2)13(20)18-6-4-5-9(7-18)11(19)14-12-16-15-10(22-12)8-21-3/h9H,4-8H2,1-3H3,(H,14,16,19)/t9-/m0/s1.
What are the key properties of (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).